⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8861681 | 1.00 | — | — | |
| SCHEMBL1352564 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL21427696 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL1352562 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL2178552 | 0.74 | — | — | |
| SCHEMBL16907317 | 0.73 | — | — | |
| SCHEMBL20018403 | 0.73 | — | — | |
| SCHEMBL16969771 | 0.71 | — | — | |
| SCHEMBL1470939 | 0.71 | — | — | |
| SCHEMBL1470943 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119707697-A | Asymmetric quaternary ammonium base and preparation method and application thereof | 广州大有精细化工厂 | 2025-03-28 | — | — | CN | claimed |
| CN-119707697-A | Asymmetric quaternary ammonium base and preparation method and application thereof | 广州大有精细化工厂 | 2025-03-28 | — | — | CN | disclosed |
| WO-1997042237-A1 | A PROCESS FOR MAKING POLYOLEFINS HAVING BROAD MOLECULAR WEIGHT DISTRIBUTIONS | DSM N.V. (NL) | 1997-11-13 | — | — | WO | disclosed |
| US-4552883-A | CNS DEPRESSANTS, ANXIOLYTICS | ICI AMERICAS INC. (US) | 1985-11-12 | — | — | US | disclosed |
| EP-0096995-A2 | Pyrazolopyridine compounds | ICI AMERICAS INC. (US) | 1983-12-28 | — | — | EP | disclosed |